Geometry & MOs

Info

ID:	440163
PubChem CID:	135230072
Reduced:	O2N3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	330.167853
ΔH_f, kcal/mol:	-49.24
Dipole, Da:	6.02
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789292
Charge, e:	0

Chem-info

IUPAC name:

ethenyl 2-[3-(2-ethenoxycarbonyloxyethoxy)-3-methylbutoxy]-2-methylpropanoate

Drug info:

PubChemData

Smile

CN=[N+]=NCCCCC1(CCCC1)C(=O)O

DOS

IR

Vibrations